A0A077Z6L4_TRITR Loading...

SPT2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.8Low60.8Low235 Ų235165.3 Ų165.3100%1.15887%0.865SS**  093.60-63.7-63.1-176.300107.7
2L50.4Low61.1Low181 Ų181163.7 Ų163.795%0.94886%0.855SS**PPolyproline II helixtrans-89.3123.6175.4-85.591.4000108.9
3T69Low60.9Low130 Ų130162.5 Ų162.580%0.79885%0.848SS**PPolyproline II helixtrans-87.9141.7174.152.60000109.9
4P60.5Low60.1Low126 Ų126158.1 Ų158.182%0.81884%0.838SS**PPolyproline II helixtrans-82.214017632-30.6000111.1
5S62.2Low59.6Low102 Ų102156.9 Ų156.971%0.71383%0.832SS**PPolyproline II helixtrans-73.4153.1179.464.50000112.9
6P65.2Low59.5Low124 Ų124155.2 Ų155.281%0.80583%0.829SS**PPolyproline II helixtrans-75.3133.6-178.531.6-32.8000111.5Q8P6-Q8 PolarHBondContact O-N 3.25Å
7V64.3Low59.2Low135 Ų135151.6 Ų151.682%0.81883%0.826SS**PPolyproline II helixtrans-75.6118.9174.7-179.90000109.3R9V7-R9 PolarHBondContact O-N 3.39Å
8Q60.3Low59.1Low186 Ų186150.8 Ų150.887%0.86982%0.819SS**PPolyproline II helixtrans-66.6124.5171.7-77.1171.1-12.100110.1P6P6-Q8 PolarHBondContact O-N 3.25Å
9R57Low59.3Low233 Ų233149.7 Ų149.788%0.87982%0.818SS**PPolyproline II helixtrans-84140173.6-62.8-178.5-168.6-113.42.1110.1V7V7-R9 PolarHBondContact O-N 3.39Å
10P61.6Low59Low120 Ų120148.6 Ų148.678%0.77982%0.816SS**PPolyproline II helixtrans-68.9146.6176.228.9-33.1000111.2
11R59.3Low58.7Low246 Ų246144.5 Ų144.593%0.92881%0.808SS**PPolyproline II helixtrans-73122.3179.1-62.4-173.1-179.6-167.60.3109.7
12I64.6Low58.5Low146 Ų146143.6 Ų143.675%0.74980%0.798SS**PPolyproline II helixtrans-79.8125170.8-58.7174.1000107.5
13I59.2Low58.9Low148 Ų148144 Ų14476%0.75980%0.795SS**  trans-83.1111.8172.3-51.2172.3000106.4
14S49.7Very low58.1Low101 Ų101143.4 Ų143.471%0.70680%0.796SS**  trans-101.992.9179.356.80000110
15D51.5Low57.5Low141 Ų141141.3 Ų141.375%0.75480%0.797SS**  trans-138.772.1175-71.6-41.4000111.8
16V58.8Low57.3Low129 Ų129141.7 Ų141.778%0.78280%0.8SS**  trans-139.897.8152.2178.90000108.1I18V16-I18 HydrophobicContact CG1-CD1 4.5Å; V16-I18 HydrophobicContact CG1-CG1 3.85Å; V16-I18 PolarHBondContact O-N 3.44Å
17A54.6Low56.7Low94 Ų94148.3 Ų148.378%0.77781%0.809SS**  trans-80.1101.4169.200000109.1T19A17-T19 PolarHBondContact O-N 2.91Å
18I57.9Low56.3Low137 Ų137145.7 Ų145.770%0.70380%0.802SS**  trans-86.5100.7165.8-52.5-177.6000107.3V16 T20V16-I18 HydrophobicContact CG1-CD1 4.5Å; V16-I18 HydrophobicContact CG1-CG1 3.85Å; V16-I18 PolarHBondContact O-N 3.44Å; I18-T20 HydrophobicContact CG2-CG2 3.91Å; I18-T20 PolarHBondContact O-N 2.94Å
19T62.1Low56.5Low130 Ų130141.9 Ų141.980%0.79880%0.795SS**  trans-8485.7171.450.60000109.4A17 G21A17-T19 PolarHBondContact O-N 2.91Å; T19-G21 PolarHBondContact O-N 3.01Å
20T52.9Low56.4Low128 Ų128137.3 Ų137.379%0.78579%0.793SS**  trans-7875.4163.556.50000109.3I18 K22I18-T20 HydrophobicContact CG2-CG2 3.91Å; I18-T20 PolarHBondContact O-N 2.94Å; T20-K22 PolarHBondContact O-N 3.3Å
21G53.2Low56.2Low63 Ų63141.8 Ų141.865%0.64980%0.795SS**  trans-76.699.8173.600000111T19 Q23T19-G21 PolarHBondContact O-N 3.01Å; G21-Q23 PolarHBondContact O-N 3.48Å; G21-Q23 VanDerWaalsContact O-N 3.09Å
22K53.8Low56.2Low215 Ų215135.3 Ų135.394%0.93578%0.784SS**  trans-69.594.3173.3-151.6173.3-170.3175.40108.7T20T20-K22 PolarHBondContact O-N 3.3Å
23Q59.9Low56.1Low190 Ų190133.7 Ų133.789%0.88878%0.783SS**  trans-102.4120.2173.6-64-150.517.900111G21G21-Q23 PolarHBondContact O-N 3.48Å; G21-Q23 VanDerWaalsContact O-N 3.09Å
24S52.4Low56.5Low117 Ų117133.6 Ų133.682%0.81879%0.789SS**  trans-65.6131.2174.847.80000112.2
25G46.5Very low57.3Low82 Ų82131.1 Ų131.185%0.84577%0.772SS**  trans31.797.4147.600000119.3
26S59.5Low58.6Low111 Ų111127.6 Ų127.678%0.77676%0.758SS**  trans-143.4124.4138.363.40000108.9A28S26-A28 VanDerWaalsContact C-N 3.32Å; S26-A28 PolarHBondContact O-N 3.16Å
27R51.7Low59.7Low262 Ų262128 Ų12899%0.98976%0.755SS**  trans-6886.3177.4-83.7161.662.5167.9-0.9108.9
28A55.9Low61.1Low81 Ų81131.4 Ų131.467%0.66975%0.748SS**  trans-81.7126.916900000109.5S26 V30S26-A28 VanDerWaalsContact C-N 3.32Å; S26-A28 PolarHBondContact O-N 3.16Å; A28-V30 PolarHBondContact O-N 2.96Å
29S64Low62.3Low105 Ų105130.1 Ų130.173%0.73474%0.739SS**  trans-52.2112.1172.7115.30000109R31S29-R31 PolarHBondContact O-N 2.93Å
30V56.1Low63.3Low137 Ų137127.8 Ų127.883%0.8372%0.721SS**  trans-67.5101.8176.5-179.70000107.4A28A28-V30 PolarHBondContact O-N 2.96Å
31R56.7Low65Low215 Ų215127 Ų12781%0.81171%0.708SS**PPolyproline II helixtrans-63133.4165.7-71.6179.8172.2-133.7-0.3107.1S29S29-R31 PolarHBondContact O-N 2.93Å
32P59.4Low66.7Low110 Ų110129 Ų12971%0.71470%0.704SS**PPolyproline II helixtrans-58.9139.3174.626.1-32.5000108.4V34P32-V34 PolarHBondContact O-N 3.43Å
33P63.2Low68.3Low111 Ų111127.6 Ų127.672%0.72169%0.693SS**PPolyproline II helixtrans-56.9136.3174.525-32.5000108.3S35P33-S35 VanDerWaalsContact C-N 3.26Å; P33-S35 PolarHBondContact O-N 2.99Å
34V66Low69.7Low146 Ų146128 Ų12889%0.88569%0.686SS**  trans-63.596.2167.4-74.10000106.7P32 S36P32-V34 PolarHBondContact O-N 3.43Å; V34-S36 PolarHBondContact O-N 3.31Å
35S67Low71.5Confident49 Ų49126.7 Ų126.734%0.34367%0.667SS.*  trans-60.1130.8173.338.90000107.5P33 E39 I40P33-S35 VanDerWaalsContact C-N 3.26Å; P33-S35 PolarHBondContact O-N 2.99Å; S35-E39 WeakPolarHBondContact CA-OE2 3.32Å; S35-E39 VanDerWaalsContact CB-OE2 3.27Å; S35-E39 WeakPolarHBondContact CB-OE2 3.38Å; S35-I40 VanDerWaalsContact OG-CG1 3.31Å; S35-I40 WeakPolarHBondContact OG-CG1 3.37Å
36S78.4Confident73.6Confident68 Ų68129.8 Ų129.848%0.47666%0.657SS.*  trans-62.6153.4176.895.70000108.6V34 R38 E39 I40V34-S36 PolarHBondContact O-N 3.31Å; S36-R38 PolarHBondContact O-N 3.42Å; S36-R38 WeakPolarHBondContact OG-CB 3.48Å; S36-R38 PolarHBondContact OG-N 3.2Å; S36-E39 WeakPolarHBondContact O-CA 3.32Å; S36-E39 WeakPolarHBondContact O-CB 3.34Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 PolarHBondContact OG-N 2.92Å; S36-I40 PolarHBondContact O-N 3.37Å
37L83.2Confident74.9Confident136 Ų136128.1 Ų128.171%0.71264%0.639SS**Hα-helixtrans-49.3-34175.2-75.6175.8000111.8E39 I40 E41L37-E39 PolarHBondContact O-N 3.36Å; L37-I40 PolarHBondContact O-N 2.9Å; L37-E41 WeakPolarHBondContact O-CB 3.36Å; L37-E41 VanDerWaalsContact O-CG 3.28Å; L37-E41 WeakPolarHBondContact O-CG 3.41Å; L37-E41 PolarHBondContact O-N 3.06Å
38R84Confident76.6Confident167 Ų167122.4 Ų122.463%0.6362%0.618SS**Hα-helixtrans-63.1-40.7176-173.860.1173.9-166.70.7113.2S36 L42S36-R38 PolarHBondContact O-N 3.42Å; S36-R38 WeakPolarHBondContact OG-CB 3.48Å; S36-R38 PolarHBondContact OG-N 3.2Å; R38-L42 HydrophobicContact CG-CD1 4.21Å; R38-L42 WeakPolarHBondContact O-CB 3.34Å; R38-L42 WeakPolarHBondContact O-CD1 3.4Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.09Å; R38-L42 PolarHBondContact O-N 3.28Å
39E82.2Confident78.1Confident110 Ų110126.8 Ų126.851%0.51462%0.617SS.*Hα-helixtrans-71.5-39.4178.1-176.1176.1-170.500111.2S35 S36 L37 L42 R43S35-E39 WeakPolarHBondContact CA-OE2 3.32Å; S35-E39 VanDerWaalsContact CB-OE2 3.27Å; S35-E39 WeakPolarHBondContact CB-OE2 3.38Å; S36-E39 WeakPolarHBondContact O-CA 3.32Å; S36-E39 WeakPolarHBondContact O-CB 3.34Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 PolarHBondContact OG-N 2.92Å; L37-E39 PolarHBondContact O-N 3.36Å; E39-L42 PolarHBondContact O-N 3.45Å; E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.49Å
40I83.8Confident79.2Confident81 Ų81127.6 Ų127.642%0.41560%0.604SS.*Hα-helixtrans-62-45.3174.2-58.8177.1000110.4S35 S36 L37 R43 R44S35-I40 VanDerWaalsContact OG-CG1 3.31Å; S35-I40 WeakPolarHBondContact OG-CG1 3.37Å; S36-I40 PolarHBondContact O-N 3.37Å; L37-I40 PolarHBondContact O-N 2.9Å; I40-R43 PolarHBondContact O-N 3.29Å; I40-R44 WeakPolarHBondContact O-CB 3.4Å; I40-R44 PolarHBondContact O-N 3.05Å
41E87.1Confident80.5Confident111 Ų111125 Ų12552%0.51959%0.585SS.*Hα-helixtrans-61.9-46.6177.1-77.7173.4-176.400112.4L37 R43 R44 E45L37-E41 WeakPolarHBondContact O-CB 3.36Å; L37-E41 VanDerWaalsContact O-CG 3.28Å; L37-E41 WeakPolarHBondContact O-CG 3.41Å; L37-E41 PolarHBondContact O-N 3.06Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3Å; E41-R44 WeakPolarHBondContact O-CB 3.47Å; E41-R44 PolarHBondContact O-N 2.75Å; E41-R44 VanDerWaalsContact O-N 3.14Å; E41-E45 PolarHBondContact O-N 3.33Å
42L89.2Confident81.6Confident106 Ų106119.9 Ų119.956%0.55557%0.57SS**Hα-helixtrans-58.7-43.7176.1-80.7162.9000111.6R38 E39 R44 E45 F46R38-L42 HydrophobicContact CG-CD1 4.21Å; R38-L42 WeakPolarHBondContact O-CB 3.34Å; R38-L42 WeakPolarHBondContact O-CD1 3.4Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.09Å; R38-L42 PolarHBondContact O-N 3.28Å; E39-L42 PolarHBondContact O-N 3.45Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.88Å; L42-E45 PolarHBondContact O-N 2.85Å; L42-F46 WeakPolarHBondContact O-CB 3.36Å; L42-F46 PolarHBondContact O-N 3.26Å
43R87.9Confident82.5Confident185 Ų185120.7 Ų120.770%0.69856%0.563SS**Hα-helixtrans-62.7-42.3175.8-174.9170.6179.4-173.6-0.3111.2E39 I40 E41 F46 L47E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.49Å; I40-R43 PolarHBondContact O-N 3.29Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3Å; R43-F46 PolarHBondContact O-N 2.93Å; R43-L47 HydrophobicContact CG-CD1 3.7Å; R43-L47 WeakPolarHBondContact O-CD1 3.27Å; R43-L47 PolarHBondContact O-N 3.41Å
44R90.4Very high83.1Confident199 Ų199118.7 Ų118.775%0.75155%0.546SS*.Hα-helixtrans-64.2-44.4179.5-135.8176.3173.6-133-2.4112.3I40 E41 L42 L47 R48I40-R44 WeakPolarHBondContact O-CB 3.4Å; I40-R44 PolarHBondContact O-N 3.05Å; E41-R44 WeakPolarHBondContact O-CB 3.47Å; E41-R44 PolarHBondContact O-N 2.75Å; E41-R44 VanDerWaalsContact O-N 3.14Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.88Å; R44-L47 PolarHBondContact O-N 3.26Å; R44-R48 WeakPolarHBondContact O-CB 3.27Å; R44-R48 PolarHBondContact O-N 3.02Å
45E89.9Confident83.2Confident88 Ų88113.7 Ų113.741%0.41152%0.524SS..Hα-helixtrans-64.3-38.8174.8-90.6-68.6131.100112.1E41 L42 R48 R49E41-E45 PolarHBondContact O-N 3.33Å; L42-E45 PolarHBondContact O-N 2.85Å; E45-R48 PolarHBondContact O-N 3.42Å; E45-R48 IonicContact OE1-NH1 3.61Å; E45-R48 PolarHBondContact OE1-NH1 2.87Å; E45-R49 PolarHBondContact O-N 3.48Å
46F89Confident83.1Confident148 Ų148118 Ų11865%0.64954%0.539SS*.Hα-helixtrans-61.2-47.9175.3-177-91.9000112.3L42 R43 R48 R49 R50L42-F46 WeakPolarHBondContact O-CB 3.36Å; L42-F46 PolarHBondContact O-N 3.26Å; R43-F46 PolarHBondContact O-N 2.93Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 3.49Å; F46-R49 PolarHBondContact O-N 3.4Å; F46-R50 WeakPolarHBondContact O-CB 3.39Å; F46-R50 PolarHBondContact O-N 3.47Å
47L88.1Confident82.2Confident75 Ų75119.6 Ų119.639%0.39354%0.541SS..Hα-helixtrans-62.1-41.9176.7-86.7116.9000111.7R43 R44 R49 R50 D51R43-L47 HydrophobicContact CG-CD1 3.7Å; R43-L47 WeakPolarHBondContact O-CD1 3.27Å; R43-L47 PolarHBondContact O-N 3.41Å; R44-L47 PolarHBondContact O-N 3.26Å; L47-R49 PolarHBondContact O-N 2.89Å; L47-R50 WeakPolarHBondContact O-CB 3.23Å; L47-R50 PolarHBondContact O-N 3.14Å; L47-D51 VanDerWaalsContact O-CG 3.27Å; L47-D51 PolarHBondContact O-N 3.26Å
48R87Confident81.1Confident143 Ų143117.8 Ų117.854%0.5454%0.54SS..Hα-helixtrans-61-43.3176.9-174.9178.4175.1-126.6-4.2112.3R44 E45 F46 D51 Q52R44-R48 WeakPolarHBondContact O-CB 3.27Å; R44-R48 PolarHBondContact O-N 3.02Å; E45-R48 PolarHBondContact O-N 3.42Å; E45-R48 IonicContact OE1-NH1 3.61Å; E45-R48 PolarHBondContact OE1-NH1 2.87Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 3.49Å; R48-D51 PolarHBondContact O-N 3.23Å; R48-Q52 WeakPolarHBondContact O-CG 3.45Å; R48-Q52 PolarHBondContact O-N 2.96Å; R48-Q52 VanDerWaalsContact O-N 3.08Å
49R87.2Confident80.1Confident172 Ų172113.8 Ų113.865%0.64954%0.537SS*.Hα-helixtrans-68.7-37.8177.6-166.2176.2-64.6168.81.8112.1E45 F46 L47 Q52 F53E45-R49 PolarHBondContact O-N 3.48Å; F46-R49 PolarHBondContact O-N 3.4Å; L47-R49 PolarHBondContact O-N 2.89Å; R49-Q52 PolarHBondContact O-N 2.98Å; R49-F53 WeakPolarHBondContact O-CB 3.44Å; R49-F53 PolarHBondContact O-N 3.33Å
50R87.2Confident79Confident123 Ų123115.2 Ų115.246%0.46455%0.548SS..Hα-helixtrans-61-45.9173.9-172.6-159.775.3114.51.4111.3F46 L47 Q52 F53 L54F46-R50 WeakPolarHBondContact O-CB 3.39Å; F46-R50 PolarHBondContact O-N 3.47Å; L47-R50 WeakPolarHBondContact O-CB 3.23Å; L47-R50 PolarHBondContact O-N 3.14Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-F53 PolarHBondContact O-N 2.92Å; R50-L54 HydrophobicContact CG-CD1 3.94Å; R50-L54 HydrophobicContact CG-CG 4.41Å; R50-L54 WeakPolarHBondContact O-CB 3.5Å; R50-L54 WeakPolarHBondContact O-CG 3.35Å; R50-L54 PolarHBondContact O-N 3Å
51D83.3Confident77.8Confident83 Ų83119.1 Ų119.144%0.44457%0.57SS.*Hα-helixtrans-68.5-34.1-179.1-66.8-12.4000111.6L47 R48 G55L47-D51 VanDerWaalsContact O-CG 3.27Å; L47-D51 PolarHBondContact O-N 3.26Å; R48-D51 PolarHBondContact O-N 3.23Å; D51-G55 PolarHBondContact O-N 3.12Å
52Q80.5Confident76.3Confident106 Ų106122.3 Ų122.350%0.49559%0.585SS.*Hα-helixtrans-63-48170.4-74.4174.5-1000111.9R48 R49 R50 G55 E56R48-Q52 WeakPolarHBondContact O-CG 3.45Å; R48-Q52 PolarHBondContact O-N 2.96Å; R48-Q52 VanDerWaalsContact O-N 3.08Å; R49-Q52 PolarHBondContact O-N 2.98Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-G55 PolarHBondContact O-N 3.5Å; Q52-E56 PolarHBondContact O-N 3.39Å
53F78Confident74.3Confident127 Ų127122.7 Ų122.756%0.55760%0.597SS**Hα-helixtrans-64.6-43180-177.1-108.1000112.6R49 R50 G55 E56 I57R49-F53 WeakPolarHBondContact O-CB 3.44Å; R49-F53 PolarHBondContact O-N 3.33Å; R50-F53 PolarHBondContact O-N 2.92Å; F53-G55 VanDerWaalsContact C-N 3.32Å; F53-E56 PolarHBondContact O-N 3.48Å; F53-I57 HydrophobicContact CD1-CD1 3.55Å; F53-I57 HydrophobicContact CD2-CD1 4.47Å; F53-I57 HydrophobicContact CE1-CD1 3.19Å; F53-I57 HydrophobicContact CE1-CG1 4.43Å; F53-I57 HydrophobicContact CE2-CD1 4.18Å; F53-I57 HydrophobicContact CG-CD1 4.2Å; F53-I57 HydrophobicContact CZ-CD1 3.54Å; F53-I57 HydrophobicContact CZ-CG1 4.47Å; F53-I57 WeakPolarHBondContact O-CG1 3.35Å; F53-I57 PolarHBondContact O-N 3.13Å
54L75.3Confident72.6Confident69 Ų69121.1 Ų121.136%0.36160%0.602SS.*Hα-helixtrans-69-32.5175.5-70.1174.4000112R50 I57 S58R50-L54 HydrophobicContact CG-CD1 3.94Å; R50-L54 HydrophobicContact CG-CG 4.41Å; R50-L54 WeakPolarHBondContact O-CB 3.5Å; R50-L54 WeakPolarHBondContact O-CG 3.35Å; R50-L54 PolarHBondContact O-N 3Å; L54-I57 PolarHBondContact O-N 3.04Å; L54-S58 VanDerWaalsContact O-CB 3.32Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.86Å; L54-S58 PolarHBondContact O-OG 3.31Å
55G69.5Low70.5Confident41 Ų41116.3 Ų116.342%0.42360%0.599SS.*Hα-helixtrans-62.4-42.9172.600000112.2D51 Q52 F53 S58 S59D51-G55 PolarHBondContact O-N 3.12Å; Q52-G55 PolarHBondContact O-N 3.5Å; F53-G55 VanDerWaalsContact C-N 3.32Å; G55-S58 PolarHBondContact O-N 3.3Å; G55-S59 PolarHBondContact O-N 3.31Å
56E63.6Low68.8Low141 Ų141121.2 Ų121.266%0.65962%0.622SS**Hα-helixtrans-62.6-47.4173.3-102173.7165.800111.7Q52 F53 S58 S59Q52-E56 PolarHBondContact O-N 3.39Å; F53-E56 PolarHBondContact O-N 3.48Å; E56-S58 PolarHBondContact O-N 3.1Å; E56-S59 PolarHBondContact O-N 2.9Å
57I59.7Low67.1Low101 Ų101123.3 Ų123.352%0.51863%0.634SS.*Hα-helixtrans-65-31.2-179.3-65.7163000112.2F53 L54F53-I57 HydrophobicContact CD1-CD1 3.55Å; F53-I57 HydrophobicContact CD2-CD1 4.47Å; F53-I57 HydrophobicContact CE1-CD1 3.19Å; F53-I57 HydrophobicContact CE1-CG1 4.43Å; F53-I57 HydrophobicContact CE2-CD1 4.18Å; F53-I57 HydrophobicContact CG-CD1 4.2Å; F53-I57 HydrophobicContact CZ-CD1 3.54Å; F53-I57 HydrophobicContact CZ-CG1 4.47Å; F53-I57 WeakPolarHBondContact O-CG1 3.35Å; F53-I57 PolarHBondContact O-N 3.13Å; L54-I57 PolarHBondContact O-N 3.04Å
58S60.8Low65.5Low98 Ų98128.4 Ų128.469%0.68566%0.655SS**Hα-helixtrans-83.8-13.5-176.2-51.40000113.5L54 G55 E56L54-S58 VanDerWaalsContact O-CB 3.32Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.86Å; L54-S58 PolarHBondContact O-OG 3.31Å; G55-S58 PolarHBondContact O-N 3.3Å; E56-S58 PolarHBondContact O-N 3.1Å
59S61.8Low64.2Low83 Ų83126.5 Ų126.558%0.5867%0.67SS**Hα-helixtrans-91.2-16.6-169.9-165.60000114.8G55 E56G55-S59 PolarHBondContact O-N 3.31Å; E56-S59 PolarHBondContact O-N 2.9Å
60D60.2Low62.9Low140 Ų140123.7 Ų123.775%0.74967%0.668SS**SBendtrans-114.132-164.4-73.5-18.7000114.6
61N57.1Low62Low162 Ų162122.7 Ų122.787%0.86668%0.68SS**  trans-128.842.9175.7-125.2-7000113.7
62E56.3Low61.4Low178 Ų178126.9 Ų126.983%0.83270%0.697SS**  trans-90.3105.4166.8-79.5-81.1141.900109.7
63S47.1Very low61.2Low115 Ų115128 Ų12880%0.80470%0.7SS**  trans46.993.2145.8-149.30000117.9
64D52.4Low60.8Low151 Ų151128.7 Ų128.781%0.80771%0.71SS**  trans-141.9111140.5-156.78.2000110.8
65S47.4Very low61Low98 Ų98132.9 Ų132.969%0.68573%0.733SS**  trans4597.3147.4-51.60000118.4E67S65-E67 PolarHBondContact O-N 3.17Å
66E52.4Low61.6Low191 Ų191137.5 Ų137.589%0.89374%0.741SS**THydrogen-bonded Turntrans-59.4106.6149.1-56.6-169.8-169.700108.7
67E54.9Low62.3Low193 Ų193135.9 Ų135.990%0.90274%0.736SS**THydrogen-bonded Turntrans177.9-5.4145.4-103172.1-171.500117S65S65-E67 PolarHBondContact O-N 3.17Å
68E54.6Low63.1Low182 Ų182137 Ų13785%0.8574%0.743SS**  trans-107.992.3165.8-71.1-147.9-175.100110.5N70E68-N70 VanDerWaalsContact C-N 3.32Å; E68-N70 PolarHBondContact O-N 2.78Å
69A58.5Low63.8Low102 Ų102139.7 Ų139.784%0.84375%0.75SS**  trans-53.3102.4162.300000107.7S71A69-S71 PolarHBondContact O-N 3.01Å
70N60.5Low64.3Low113 Ų113139 Ų13960%0.60475%0.745SS**  trans-59.598.4-178.3-118.8-7.9000108E68 E72 F73E68-N70 VanDerWaalsContact C-N 3.32Å; E68-N70 PolarHBondContact O-N 2.78Å; N70-E72 PolarHBondContact O-N 2.8Å; N70-F73 PolarHBondContact O-N 2.59Å
71S67.3Low64.7Low103 Ų103140.9 Ų140.972%0.7275%0.749SS**THydrogen-bonded Turntrans-61.7-12.5174.295.30000111.8A69 F73A69-S71 PolarHBondContact O-N 3.01Å; S71-F73 PolarHBondContact O-N 2.75Å
72E70.6Confident65.1Low170 Ų170140.9 Ų140.979%0.79474%0.738SS**THydrogen-bonded Turntrans-60.2-27.8168.4-168.899.9-161.500112.3N70N70-E72 PolarHBondContact O-N 2.8Å
73F77Confident65.4Low130 Ų130135.6 Ų135.657%0.5772%0.718SS**SBendtrans-104-2.5-176.8-136.8-97.8000113.8N70 S71 D75 F76N70-F73 PolarHBondContact O-N 2.59Å; S71-F73 PolarHBondContact O-N 2.75Å; F73-D75 PolarHBondContact O-N 3.45Å; F73-F76 HydrophobicContact CD1-CB 3.6Å; F73-F76 HydrophobicContact CD1-CD1 4.09Å; F73-F76 AromaticContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CE1-CB 3.58Å; F73-F76 AromaticContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD2 4.1Å; F73-F76 AromaticContact CE1-CE1 3.96Å; F73-F76 HydrophobicContact CE1-CE1 3.96Å; F73-F76 AromaticContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE2-CD2 4.44Å; F73-F76 HydrophobicContact CE2-CG 4.4Å; F73-F76 HydrophobicContact CG-CB 4.13Å; F73-F76 HydrophobicContact CZ-CB 4.08Å; F73-F76 AromaticContact CZ-CD1 3.79Å; F73-F76 HydrophobicContact CZ-CD1 3.79Å; F73-F76 AromaticContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CE1 4.17Å; F73-F76 HydrophobicContact CZ-CE2 4.23Å; F73-F76 AromaticContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CZ 4.38Å; F73-F76 VanDerWaalsContact O-CB 3.3Å; F73-F76 WeakPolarHBondContact O-CB 3.46Å; F73-F76 PolarHBondContact O-N 3.17Å; F73-F76 VanDerWaalsContact O-N 3.11Å
74D70.5Confident66.5Low142 Ų142135.9 Ų135.976%0.75971%0.71SS**THydrogen-bonded Turntrans-68.8-19.5180-126.818.8000112.3
75D79.8Confident67.5Low157 Ų157135.1 Ų135.184%0.8470%0.702SS**THydrogen-bonded Turntrans-92.11.9174.6-161.340.2000112.9F73F73-D75 PolarHBondContact O-N 3.45Å
76F81.8Confident69Low138 Ų138136.4 Ų136.461%0.60570%0.697SS**SBendtrans-77.1-38.3-178.3-176.4-103.9000112.8F73F73-F76 HydrophobicContact CD1-CB 3.6Å; F73-F76 HydrophobicContact CD1-CD1 4.09Å; F73-F76 AromaticContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CE1-CB 3.58Å; F73-F76 AromaticContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD2 4.1Å; F73-F76 AromaticContact CE1-CE1 3.96Å; F73-F76 HydrophobicContact CE1-CE1 3.96Å; F73-F76 AromaticContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE2-CD2 4.44Å; F73-F76 HydrophobicContact CE2-CG 4.4Å; F73-F76 HydrophobicContact CG-CB 4.13Å; F73-F76 HydrophobicContact CZ-CB 4.08Å; F73-F76 AromaticContact CZ-CD1 3.79Å; F73-F76 HydrophobicContact CZ-CD1 3.79Å; F73-F76 AromaticContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CE1 4.17Å; F73-F76 HydrophobicContact CZ-CE2 4.23Å; F73-F76 AromaticContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CZ 4.38Å; F73-F76 VanDerWaalsContact O-CB 3.3Å; F73-F76 WeakPolarHBondContact O-CB 3.46Å; F73-F76 PolarHBondContact O-N 3.17Å; F73-F76 VanDerWaalsContact O-N 3.11Å
77I77.9Confident70.4Confident107 Ų107128.3 Ų128.355%0.54966%0.663SS.*SBendtrans-105.3108.4177.1-55.2-59.6000108.5D79I77-D79 PolarHBondContact O-N 2.89Å; I77-D79 VanDerWaalsContact O-N 3.17Å
78D75.5Confident71.8Confident123 Ų123121.5 Ų121.566%0.65864%0.637SS**  trans-74.7100.4168-17612.5000109S80D78-S80 PolarHBondContact O-N 3.35Å; D78-S80 VanDerWaalsContact O-N 3.13Å; D78-S80 WeakPolarHBondContact OD1-CB 3.39Å; D78-S80 PolarHBondContact OD1-N 3.28Å; D78-S80 PolarHBondContact OD1-OG 2.87Å; D78-S80 VanDerWaalsContact OD1-OG 3.09Å; D78-S80 PolarHBondContact OD2-OG 3.4Å
79D75.9Confident73.4Confident156 Ų156116.5 Ų116.583%0.83462%0.616SS**  trans-67.83.3172-82.8-13.3000112.6I77I77-D79 PolarHBondContact O-N 2.89Å; I77-D79 VanDerWaalsContact O-N 3.17Å
80S72.8Confident75Confident68 Ų68115.9 Ų115.948%0.47660%0.595SS.*SBendtrans-59.5145.9169.484.10000110.8D78 Y82D78-S80 PolarHBondContact O-N 3.35Å; D78-S80 VanDerWaalsContact O-N 3.13Å; D78-S80 WeakPolarHBondContact OD1-CB 3.39Å; D78-S80 PolarHBondContact OD1-N 3.28Å; D78-S80 PolarHBondContact OD1-OG 2.87Å; D78-S80 VanDerWaalsContact OD1-OG 3.09Å; D78-S80 PolarHBondContact OD2-OG 3.4Å; S80-Y82 PolarHBondContact O-N 2.94Å
81E69.2Low76.3Confident180 Ų180115.3 Ų115.384%0.84159%0.591SS**  trans-60.7104.1178.5-173.9173-16500108.6V83E81-V83 WeakPolarHBondContact O-CG2 3.48Å; E81-V83 PolarHBondContact O-N 3.48Å
82Y63.8Low77.5Confident162 Ų162114.2 Ų114.264%0.63557%0.572SS**  trans-52.1108.2174.2-178.9-99.3000108.9S80 D84 A87S80-Y82 PolarHBondContact O-N 2.94Å; Y82-D84 PolarHBondContact O-N 3.2Å; Y82-A87 HydrophobicContact CE1-CB 4.07Å; Y82-A87 WeakPolarHBondContact OH-CB 3.41Å
83V64.6Low78.5Confident66 Ų66114.1 Ų114.140%0.456%0.564SS.*  trans-76.1101.9179.2-1710000106.8E81 E85 E86E81-V83 WeakPolarHBondContact O-CG2 3.48Å; E81-V83 PolarHBondContact O-N 3.48Å; V83-E85 HydrophobicContact CG1-CB 3.73Å; V83-E85 HydrophobicContact CG1-CG 3.8Å; V83-E85 PolarHBondContact O-N 2.97Å; V83-E86 HydrophobicContact CB-CG 4.47Å; V83-E86 WeakPolarHBondContact O-CB 3.37Å; V83-E86 PolarHBondContact O-N 3.13Å
84D69.5Low79.3Confident122 Ų122113.7 Ų113.765%0.65257%0.567SS**Hα-helixtrans-50.2-21.7176.5-168.123.7000112.7Y82 E86 A87 S88Y82-D84 PolarHBondContact O-N 3.2Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.99Å; D84-A87 PolarHBondContact O-N 3.12Å; D84-S88 PolarHBondContact O-N 3.38Å; D84-S88 VanDerWaalsContact O-N 3.1Å
85E72.6Confident80.4Confident135 Ų135114.4 Ų114.463%0.63156%0.563SS**Hα-helixtrans-60.4-33.3171.7-53.5-169.9172.300113.6V83 S88 N89V83-E85 HydrophobicContact CG1-CB 3.73Å; V83-E85 HydrophobicContact CG1-CG 3.8Å; V83-E85 PolarHBondContact O-N 2.97Å; E85-S88 PolarHBondContact O-N 3.47Å; E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 PolarHBondContact O-N 3.38Å; E85-N89 PolarHBondContact O-ND2 2.78Å
86E78.6Confident81Confident124 Ų124116 Ų11658%0.57956%0.563SS**Hα-helixtrans-69.3-42.1178.7-70.6172.9-178.400111.5V83 D84 S88 N89 E90V83-E86 HydrophobicContact CB-CG 4.47Å; V83-E86 WeakPolarHBondContact O-CB 3.37Å; V83-E86 PolarHBondContact O-N 3.13Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.99Å; E86-S88 VanDerWaalsContact C-N 3.35Å; E86-S88 PolarHBondContact O-N 3.41Å; E86-N89 PolarHBondContact O-N 3.05Å; E86-E90 WeakPolarHBondContact O-CB 3.35Å; E86-E90 PolarHBondContact O-N 2.83Å
87A82.2Confident81.5Confident22 Ų22115.4 Ų115.418%0.18256%0.558CS.*Hα-helixtrans-58.1-49.9172.100000110.6Y82 D84 N89 E90 I91Y82-A87 HydrophobicContact CE1-CB 4.07Å; Y82-A87 WeakPolarHBondContact OH-CB 3.41Å; D84-A87 PolarHBondContact O-N 3.12Å; A87-N89 PolarHBondContact O-N 2.91Å; A87-E90 PolarHBondContact O-N 3.32Å; A87-I91 WeakPolarHBondContact O-CD1 3.3Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.33Å; A87-I91 PolarHBondContact O-N 3.37Å
88S84.6Confident82.1Confident50 Ų50114 Ų11435%0.3555%0.551SS.*Hα-helixtrans-63.1-39.7178.4177.80000112.5D84 E85 E86 R92D84-S88 PolarHBondContact O-N 3.38Å; D84-S88 VanDerWaalsContact O-N 3.1Å; E85-S88 PolarHBondContact O-N 3.47Å; E86-S88 VanDerWaalsContact C-N 3.35Å; E86-S88 PolarHBondContact O-N 3.41Å; S88-R92 WeakPolarHBondContact O-CB 3.44Å; S88-R92 VanDerWaalsContact O-CG 3.32Å; S88-R92 WeakPolarHBondContact O-CG 3.3Å; S88-R92 PolarHBondContact O-N 2.84Å; S88-R92 PolarHBondContact O-NE 3.35Å; S88-R92 PolarHBondContact OG-NE 2.96Å; S88-R92 PolarHBondContact OG-NH2 2.85Å
89N88.7Confident82.6Confident76 Ų76110.8 Ų110.841%0.40654%0.537SS..Hα-helixtrans-65.1-43176.6-76.4-33.2000110.9E85 E86 A87 R92 R93E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 PolarHBondContact O-N 3.38Å; E85-N89 PolarHBondContact O-ND2 2.78Å; E86-N89 PolarHBondContact O-N 3.05Å; A87-N89 PolarHBondContact O-N 2.91Å; N89-R92 PolarHBondContact O-N 3.3Å; N89-R92 PolarHBondContact OD1-NH1 3.47Å; N89-R92 PolarHBondContact OD1-NH2 2.88Å; N89-R93 WeakPolarHBondContact O-CB 3.43Å; N89-R93 PolarHBondContact O-N 3.42Å
90E90.8Very high83.3Confident89 Ų89110.2 Ų110.242%0.41653%0.527SS..Hα-helixtrans-66.4-43.2178.5-178.855.7-15400111.6E86 A87 R92 R93 L94E86-E90 WeakPolarHBondContact O-CB 3.35Å; E86-E90 PolarHBondContact O-N 2.83Å; A87-E90 PolarHBondContact O-N 3.32Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 3.28Å; E90-R93 WeakPolarHBondContact O-CB 3.36Å; E90-R93 PolarHBondContact O-N 3.25Å; E90-R93 IonicContact OE1-CZ 3.15Å; E90-R93 VanDerWaalsContact OE1-CZ 3.29Å; E90-R93 IonicContact OE1-NE 2.75Å; E90-R93 IonicContact OE1-NH2 2.8Å; E90-R93 PolarHBondContact OE1-NH2 3.17Å; E90-R93 IonicContact OE2-CZ 2.88Å; E90-R93 IonicContact OE2-NE 2.59Å; E90-R93 PolarHBondContact OE2-NE 3.31Å; E90-R93 IonicContact OE2-NH2 3.29Å; E90-R93 PolarHBondContact OE2-NH2 2.67Å; E90-L94 PolarHBondContact O-N 3Å
91I89.5Confident84.2Confident102 Ų102113.9 Ų113.952%0.52353%0.534SS..Hα-helixtrans-60.4-45.4173.8-67.4164.3000110.4A87 R93 L94 F95A87-I91 WeakPolarHBondContact O-CD1 3.3Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.33Å; A87-I91 PolarHBondContact O-N 3.37Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 2.94Å; I91-F95 HydrophobicContact CG2-CD2 4.13Å; I91-F95 HydrophobicContact CG2-CE2 4.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.36Å; I91-F95 PolarHBondContact O-N 3.09Å
92R92.7Very high85.1Confident80 Ų80109.5 Ų109.530%0.30251%0.511SS..Hα-helixtrans-60.1-40.2175.3-82-176.4-83.5146.3-7.4112.3S88 N89 E90 K96 Y97S88-R92 WeakPolarHBondContact O-CB 3.44Å; S88-R92 VanDerWaalsContact O-CG 3.32Å; S88-R92 WeakPolarHBondContact O-CG 3.3Å; S88-R92 PolarHBondContact O-N 2.84Å; S88-R92 PolarHBondContact O-NE 3.35Å; S88-R92 PolarHBondContact OG-NE 2.96Å; S88-R92 PolarHBondContact OG-NH2 2.85Å; N89-R92 PolarHBondContact O-N 3.3Å; N89-R92 PolarHBondContact OD1-NH1 3.47Å; N89-R92 PolarHBondContact OD1-NH2 2.88Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 3.28Å; R92-K96 WeakPolarHBondContact O-CA 3.3Å; R92-K96 PolarHBondContact O-N 3.3Å; R92-Y97 HydrophobicContact CG-CD1 4.04Å; R92-Y97 PolarHBondContact O-N 2.98Å
93R90.8Very high86.3Confident167 Ų167109.5 Ų109.563%0.6351%0.51SS*.Hα-helixtrans-64.6-43.8177.1-171.1178.269.782.4-9.7111.6N89 E90 I91 F95 K96N89-R93 WeakPolarHBondContact O-CB 3.43Å; N89-R93 PolarHBondContact O-N 3.42Å; E90-R93 WeakPolarHBondContact O-CB 3.36Å; E90-R93 PolarHBondContact O-N 3.25Å; E90-R93 IonicContact OE1-CZ 3.15Å; E90-R93 VanDerWaalsContact OE1-CZ 3.29Å; E90-R93 IonicContact OE1-NE 2.75Å; E90-R93 IonicContact OE1-NH2 2.8Å; E90-R93 PolarHBondContact OE1-NH2 3.17Å; E90-R93 IonicContact OE2-CZ 2.88Å; E90-R93 IonicContact OE2-NE 2.59Å; E90-R93 PolarHBondContact OE2-NE 3.31Å; E90-R93 IonicContact OE2-NH2 3.29Å; E90-R93 PolarHBondContact OE2-NH2 2.67Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3.11Å; R93-F95 PolarHBondContact O-N 3.39Å; R93-K96 PolarHBondContact O-N 2.87Å
94L93.5Very high87.5Confident122 Ų122115.6 Ų115.664%0.63953%0.527SS*.Hα-helixtrans-59.9-45.9179.8-176.362.9000112.2E90 I91E90-L94 PolarHBondContact O-N 3Å; I91-L94 PolarHBondContact O-N 2.94Å
95F93.9Very high88.3Confident156 Ų156114.8 Ų114.868%0.68452%0.522SS*.Hα-helixtrans-91-1.6-178.9-67.2-75.1000114.5I91 R93 Y97I91-F95 HydrophobicContact CG2-CD2 4.13Å; I91-F95 HydrophobicContact CG2-CE2 4.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.36Å; I91-F95 PolarHBondContact O-N 3.09Å; R93-F95 PolarHBondContact O-N 3.39Å; F95-Y97 VanDerWaalsContact C-N 3.25Å; F95-Y97 PolarHBondContact O-N 3.49Å
96K92.9Very high89.1Confident192 Ų192113.3 Ų113.384%0.83552%0.518SS*.THydrogen-bonded Turntrans5638.4-174.7-53.9175.8-179.3177.10112.6R92 R93R92-K96 WeakPolarHBondContact O-CA 3.3Å; R92-K96 PolarHBondContact O-N 3.3Å; R93-K96 PolarHBondContact O-N 2.87Å
97Y91.2Very high89.3Confident125 Ų125114 Ų11449%0.4953%0.525SS..  trans-89.9123.4178179-114.4000111.1R92 F95 P99 Y102R92-Y97 HydrophobicContact CG-CD1 4.04Å; R92-Y97 PolarHBondContact O-N 2.98Å; F95-Y97 VanDerWaalsContact C-N 3.25Å; F95-Y97 PolarHBondContact O-N 3.49Å; Y97-P99 HydrophobicContact CE1-CB 4.17Å; Y97-Y102 HydrophobicContact CD2-CE2 4.37Å; Y97-Y102 HydrophobicContact CE2-CD2 4.11Å; Y97-Y102 AromaticContact CE2-CE2 3.99Å; Y97-Y102 HydrophobicContact CE2-CE2 3.99Å
98D91.4Very high89.5Confident78 Ų78120.5 Ų120.542%0.41755%0.553SS.*  trans-120110.2172.9178.811.1000110.4K100 K101 Y102D98-K100 PolarHBondContact O-N 2.82Å; D98-K100 VanDerWaalsContact OD1-CB 3.29Å; D98-K100 WeakPolarHBondContact OD1-CB 3.03Å; D98-K100 PolarHBondContact OD1-N 2.98Å; D98-K101 HydrophobicContact CB-CB 4.49Å; D98-K101 WeakPolarHBondContact O-CB 3.47Å; D98-K101 PolarHBondContact O-N 2.76Å; D98-Y102 WeakPolarHBondContact O-CD2 3.18Å
99P86.6Confident89.7Confident55 Ų55120.9 Ų120.936%0.35755%0.551SS.*G310 helixtrans-65.3-23.8178.327.1-34.3000112.5Y97 K101 Y102Y97-P99 HydrophobicContact CE1-CB 4.17Å; P99-K101 PolarHBondContact O-N 2.94Å; P99-Y102 PolarHBondContact O-N 3.37Å
100K90.1Very high89.8Confident144 Ų144122.1 Ų122.163%0.62656%0.558SS**G310 helixtrans-68.2-25.1-178.7-64.1-179.9-179175.50112.7D98 Y102 R103D98-K100 PolarHBondContact O-N 2.82Å; D98-K100 VanDerWaalsContact OD1-CB 3.29Å; D98-K100 WeakPolarHBondContact OD1-CB 3.03Å; D98-K100 PolarHBondContact OD1-N 2.98Å; K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 PolarHBondContact O-N 3.44Å; K100-R103 WeakPolarHBondContact O-CG 3.35Å; K100-R103 PolarHBondContact O-NE 3.31Å
101K90.7Very high89.7Confident144 Ų144126.8 Ų126.863%0.62657%0.572SS**G310 helixtrans-64.4-29.2177.3-175.6179.5172.8-168.90112.8D98 P99D98-K101 HydrophobicContact CB-CB 4.49Å; D98-K101 WeakPolarHBondContact O-CB 3.47Å; D98-K101 PolarHBondContact O-N 2.76Å; P99-K101 PolarHBondContact O-N 2.94Å
102Y88.2Confident89.7Confident88 Ų88129.3 Ų129.335%0.34559%0.586SS.*G310 helixtrans-107.68.9-171.8-54.5-74.9000113.5Y97 D98 P99 K100 Y104 I105Y97-Y102 HydrophobicContact CD2-CE2 4.37Å; Y97-Y102 HydrophobicContact CE2-CD2 4.11Å; Y97-Y102 AromaticContact CE2-CE2 3.99Å; Y97-Y102 HydrophobicContact CE2-CE2 3.99Å; D98-Y102 WeakPolarHBondContact O-CD2 3.18Å; P99-Y102 PolarHBondContact O-N 3.37Å; K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 PolarHBondContact O-N 3.44Å; Y102-Y104 PolarHBondContact O-N 3.46Å; Y102-I105 HydrophobicContact CD1-CD1 3.84Å; Y102-I105 PolarHBondContact O-N 2.66Å
103R88.7Confident89.8Confident162 Ų162132.7 Ų132.761%0.61161%0.607SS**THydrogen-bonded Turntrans-55.5-26.5-175.5-73.3-178.3-60.4158.15.8115.2K100K100-R103 WeakPolarHBondContact O-CG 3.35Å; K100-R103 PolarHBondContact O-NE 3.31Å
104Y89.5Confident89.8Confident195 Ų195133.2 Ų133.277%0.76562%0.617SS**THydrogen-bonded Turntrans-106.21.4-175.9-53.2-69.5000113.2Y102Y102-Y104 PolarHBondContact O-N 3.46Å
105I87.6Confident89.9Confident105 Ų105130.5 Ų130.554%0.53861%0.613SS.*SBendtrans-94.4132.9178.6-53.2-168.9000107.6Y102 L107Y102-I105 HydrophobicContact CD1-CD1 3.84Å; Y102-I105 PolarHBondContact O-N 2.66Å; I105-L107 PolarHBondContact O-N 3.29Å; I105-L107 VanDerWaalsContact O-N 3.17Å
106D88.2Confident90Very high103 Ų103126.5 Ų126.555%0.55160%0.604SS**  trans-69.6109.6168.5-171.8-9.5000108.6M108 D109D106-M108 PolarHBondContact O-N 3.18Å; D106-M108 VanDerWaalsContact O-N 3.15Å; D106-M108 PolarHBondContact OD1-N 3.25Å; D106-D109 HydrophobicContact CB-CB 3.88Å; D106-D109 PolarHBondContact O-N 3.42Å; D106-D109 VanDerWaalsContact O-N 3.11Å
107L83.5Confident90.2Very high139 Ų139125.4 Ų125.473%0.72860%0.595SS**THydrogen-bonded Turntrans-63.9-16.6-178.6-67.7168.2000112.7I105I105-L107 PolarHBondContact O-N 3.29Å; I105-L107 VanDerWaalsContact O-N 3.17Å
108M86.3Confident90.5Very high158 Ų158120.8 Ų120.878%0.77859%0.586SS**THydrogen-bonded Turntrans-98-1.3179.4-56-62.4169.300112.6D106 D110D106-M108 PolarHBondContact O-N 3.18Å; D106-M108 VanDerWaalsContact O-N 3.15Å; D106-M108 PolarHBondContact OD1-N 3.25Å; M108-D110 PolarHBondContact O-N 3.34Å
109D89.2Confident90.8Very high58 Ų58120.2 Ų120.231%0.3158%0.583SS.*  trans-9191.5179-167.66.2000111.2D106 R111D106-D109 HydrophobicContact CB-CB 3.88Å; D106-D109 PolarHBondContact O-N 3.42Å; D106-D109 VanDerWaalsContact O-N 3.11Å; D109-R111 VanDerWaalsContact CG-NH2 3.27Å; D109-R111 IonicContact OD1-CZ 2.88Å; D109-R111 IonicContact OD1-NE 3.16Å; D109-R111 PolarHBondContact OD1-NE 3.3Å; D109-R111 IonicContact OD1-NH2 3.35Å; D109-R111 PolarHBondContact OD1-NH2 3.33Å; D109-R111 VanDerWaalsContact OD1-NH2 3.16Å; D109-R111 IonicContact OD2-CZ 2.61Å; D109-R111 IonicContact OD2-NE 2.75Å; D109-R111 IonicContact OD2-NH2 3.71Å; D109-R111 PolarHBondContact OD2-NH2 2.88Å
110D90.4Very high91.3Very high103 Ų103120.9 Ų120.955%0.55158%0.583SS**  trans-106.76.1179.362.3-4000113.8M108 D112 M113M108-D110 PolarHBondContact O-N 3.34Å; D110-D112 PolarHBondContact O-N 2.96Å; D110-D112 VanDerWaalsContact O-N 3.12Å; D110-M113 HydrophobicContact CB-CE 4.15Å; D110-M113 HydrophobicContact CB-CG 4.23Å; D110-M113 HydrophobicContact CB-SD 3.83Å; D110-M113 WeakPolarHBondContact O-CB 3.47Å; D110-M113 PolarHBondContact O-N 3.27Å
111R89.8Confident91.7Very high186 Ų186116 Ų11670%0.70257%0.567SS**THydrogen-bonded Turntrans-57.9-32.5-171.2-66.2175.3-68178.4-0.8114.4D109D109-R111 VanDerWaalsContact CG-NH2 3.27Å; D109-R111 IonicContact OD1-CZ 2.88Å; D109-R111 IonicContact OD1-NE 3.16Å; D109-R111 PolarHBondContact OD1-NE 3.3Å; D109-R111 IonicContact OD1-NH2 3.35Å; D109-R111 PolarHBondContact OD1-NH2 3.33Å; D109-R111 VanDerWaalsContact OD1-NH2 3.16Å; D109-R111 IonicContact OD2-CZ 2.61Å; D109-R111 IonicContact OD2-NE 2.75Å; D109-R111 IonicContact OD2-NH2 3.71Å; D109-R111 PolarHBondContact OD2-NH2 2.88Å
112D89.4Confident92Very high155 Ų155116.7 Ų116.783%0.82957%0.565SS**THydrogen-bonded Turntrans-99.37.2-178.2-64.2-30.2000112.9D110D110-D112 PolarHBondContact O-N 2.96Å; D110-D112 VanDerWaalsContact O-N 3.12Å
113M93.1Very high92.5Very high151 Ų151119.4 Ų119.474%0.74458%0.581SS**SBendtrans-79.6-19.4178.8-63.9-169.8-173.200112.9D110D110-M113 HydrophobicContact CB-CE 4.15Å; D110-M113 HydrophobicContact CB-CG 4.23Å; D110-M113 HydrophobicContact CB-SD 3.83Å; D110-M113 WeakPolarHBondContact O-CB 3.47Å; D110-M113 PolarHBondContact O-N 3.27Å
114E92.5Very high92.9Very high178 Ų178117.1 Ų117.183%0.83258%0.578SS**SBendtrans-93.4139.6-178.6-62.4-172.4174.600112.1
115A94.4Very high93.3Very high66 Ų66110.8 Ų110.855%0.54557%0.566SS.*PPolyproline II helixtrans-97141173.300000111.1I120A115-I120 HydrophobicContact CB-CD1 4.45Å; A115-I120 HydrophobicContact CB-CG1 4.06Å
116S95.7Very high93.8Very high71 Ų71111.7 Ų111.750%0.49757%0.566SS.*PPolyproline II helixtrans-69.4149.7171.1172.80000111.1G118 D119 I120S116-G118 PolarHBondContact O-N 3.04Å; S116-G118 VanDerWaalsContact O-N 3.15Å; S116-G118 PolarHBondContact OG-N 3.06Å; S116-D119 WeakPolarHBondContact CB-OD2 3.32Å; S116-D119 PolarHBondContact N-OD2 3.27Å; S116-D119 WeakPolarHBondContact O-CA 3.23Å; S116-D119 WeakPolarHBondContact O-CB 3.37Å; S116-D119 PolarHBondContact O-N 3.42Å; S116-I120 PolarHBondContact O-N 3.33Å
117Y97.3Very high94.2Very high169 Ų169110.6 Ų110.666%0.66357%0.566SS**Hα-helixtrans-50.4-40.2172175.8-101.8000112.6D119 I120 C121Y117-D119 PolarHBondContact O-N 3.39Å; Y117-I120 PolarHBondContact O-N 2.99Å; Y117-C121 VanDerWaalsContact CE1-SG 3.55Å; Y117-C121 PolarHBondContact O-N 2.61Å; Y117-C121 PolarHBondContact O-SG 2.88Å; Y117-C121 VanDerWaalsContact O-SG 3.4Å
118G97.8Very high94.9Very high29 Ų29108 Ų10830%0.29956%0.559SS.*Hα-helixtrans-64.8-29.9177.800000113S116 R122S116-G118 PolarHBondContact O-N 3.04Å; S116-G118 VanDerWaalsContact O-N 3.15Å; S116-G118 PolarHBondContact OG-N 3.06Å; G118-R122 VanDerWaalsContact O-CG 3.31Å; G118-R122 WeakPolarHBondContact O-CG 3.36Å; G118-R122 PolarHBondContact O-N 2.85Å; G118-R122 PolarHBondContact O-NH1 3.18Å
119D97.4Very high95.4Very high66 Ų66107.8 Ų107.835%0.35355%0.55SS..Hα-helixtrans-75.6-45178.5-56.4-23.3000110S116 Y117 C121 R122 E123S116-D119 WeakPolarHBondContact CB-OD2 3.32Å; S116-D119 PolarHBondContact N-OD2 3.27Å; S116-D119 WeakPolarHBondContact O-CA 3.23Å; S116-D119 WeakPolarHBondContact O-CB 3.37Å; S116-D119 PolarHBondContact O-N 3.42Å; Y117-D119 PolarHBondContact O-N 3.39Å; D119-C121 PolarHBondContact O-N 3.12Å; D119-R122 PolarHBondContact O-N 3.44Å; D119-R122 VanDerWaalsContact O-N 3.12Å; D119-R122 IonicContact OD1-CZ 3.37Å; D119-R122 IonicContact OD1-NH1 2.72Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-R122 IonicContact OD1-NH2 3.13Å; D119-R122 PolarHBondContact OD1-NH2 3.33Å; D119-E123 PolarHBondContact O-N 3.45Å
120I97.8Very high95.8Very high69 Ų69108.3 Ų108.335%0.35455%0.552SS.*Hα-helixtrans-55.3-51.4174.4-62.1167.9000110.3A115 S116 Y117 R122 E123 E124A115-I120 HydrophobicContact CB-CD1 4.45Å; A115-I120 HydrophobicContact CB-CG1 4.06Å; S116-I120 PolarHBondContact O-N 3.33Å; Y117-I120 PolarHBondContact O-N 2.99Å; I120-R122 VanDerWaalsContact C-N 3.28Å; I120-R122 PolarHBondContact O-N 3.47Å; I120-E123 PolarHBondContact O-N 2.97Å; I120-E123 VanDerWaalsContact O-N 3.12Å; I120-E124 HydrophobicContact CG2-CG 4.27Å; I120-E124 WeakPolarHBondContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 3.44Å
121C97.9Very high96.2Very high42 Ų42104.7 Ų104.728%0.28454%0.539SS..Hα-helixtrans-60.9-35.2179-69.30000113.4Y117 D119 A125Y117-C121 VanDerWaalsContact CE1-SG 3.55Å; Y117-C121 PolarHBondContact O-N 2.61Å; Y117-C121 PolarHBondContact O-SG 2.88Å; Y117-C121 VanDerWaalsContact O-SG 3.4Å; D119-C121 PolarHBondContact O-N 3.12Å; C121-A125 VanDerWaalsContact O-CB 3.3Å; C121-A125 WeakPolarHBondContact O-CB 3.4Å; C121-A125 PolarHBondContact O-N 2.9Å
122R98.1Very high96.6Very high157 Ų157101 Ų10159%0.59253%0.532SS*.Hα-helixtrans-69.9-40.1176.7-73.4-169.7-42.8-87.813.6111G118 D119 I120 K126G118-R122 VanDerWaalsContact O-CG 3.31Å; G118-R122 WeakPolarHBondContact O-CG 3.36Å; G118-R122 PolarHBondContact O-N 2.85Å; G118-R122 PolarHBondContact O-NH1 3.18Å; D119-R122 PolarHBondContact O-N 3.44Å; D119-R122 VanDerWaalsContact O-N 3.12Å; D119-R122 IonicContact OD1-CZ 3.37Å; D119-R122 IonicContact OD1-NH1 2.72Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-R122 IonicContact OD1-NH2 3.13Å; D119-R122 PolarHBondContact OD1-NH2 3.33Å; I120-R122 VanDerWaalsContact C-N 3.28Å; I120-R122 PolarHBondContact O-N 3.47Å; R122-K126 WeakPolarHBondContact O-CB 3.38Å; R122-K126 PolarHBondContact O-N 3.42Å
123E97.6Very high97Very high145 Ų14598.5 Ų98.568%0.67852%0.516SS*.Hα-helixtrans-65.4-47.1176.1-171.9174146.600111.6D119 I120 A125 K126 S127D119-E123 PolarHBondContact O-N 3.45Å; I120-E123 PolarHBondContact O-N 2.97Å; I120-E123 VanDerWaalsContact O-N 3.12Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.08Å; E123-K126 WeakPolarHBondContact O-CB 3.31Å; E123-K126 PolarHBondContact O-N 3.47Å; E123-K126 VanDerWaalsContact O-N 3.13Å; E123-S127 WeakPolarHBondContact O-CB 3.32Å; E123-S127 PolarHBondContact O-N 2.86Å
124E96.8Very high97.2Very high115 Ų11597 Ų9754%0.53751%0.507SS..Hα-helixtrans-58.7-44.3175.7-74180173.300111.9I120 K126 S127 S128I120-E124 HydrophobicContact CG2-CG 4.27Å; I120-E124 WeakPolarHBondContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 3.44Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 3.04Å; E124-S127 PolarHBondContact O-N 3.36Å; E124-S128 WeakPolarHBondContact O-CB 3.41Å; E124-S128 PolarHBondContact O-N 3.3Å; E124-S128 PolarHBondContact O-OG 2.67Å
125A98.1Very high97.4Very high62 Ų6293.9 Ų93.951%0.51250%0.496SS..Hα-helixtrans-63.9-39.1176.100000112.1C121 E123 R129C121-A125 VanDerWaalsContact O-CB 3.3Å; C121-A125 WeakPolarHBondContact O-CB 3.4Å; C121-A125 PolarHBondContact O-N 2.9Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.08Å; A125-R129 WeakPolarHBondContact O-CB 3.49Å; A125-R129 PolarHBondContact O-N 2.94Å; A125-R129 VanDerWaalsContact O-N 3.17Å
126K98.1Very high97.6Very high124 Ų12494.9 Ų94.954%0.53949%0.492SS..Hα-helixtrans-66.2-46.6175.7-174.3-174.7177.1-172.20111R122 E123 E124 R129 I130R122-K126 WeakPolarHBondContact O-CB 3.38Å; R122-K126 PolarHBondContact O-N 3.42Å; E123-K126 WeakPolarHBondContact O-CB 3.31Å; E123-K126 PolarHBondContact O-N 3.47Å; E123-K126 VanDerWaalsContact O-N 3.13Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 3.04Å; K126-R129 PolarHBondContact O-N 3.46Å; K126-I130 HydrophobicContact CG-CD1 4.07Å; K126-I130 WeakPolarHBondContact O-CG1 3.43Å; K126-I130 PolarHBondContact O-N 3.34Å
127S97.7Very high97.6Very high79 Ų7997.5 Ų97.555%0.55250%0.496SS*.Hα-helixtrans-60.2-48178.7-175.60000111E123 E124 R129 I130 G131E123-S127 WeakPolarHBondContact O-CB 3.32Å; E123-S127 PolarHBondContact O-N 2.86Å; E124-S127 PolarHBondContact O-N 3.36Å; S127-R129 VanDerWaalsContact C-N 3.3Å; S127-R129 PolarHBondContact O-N 2.93Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 VanDerWaalsContact O-N 3.13Å; S127-G131 PolarHBondContact O-N 3.03Å
128S97.3Very high97.6Very high84 Ų8495.8 Ų95.859%0.58749%0.494SS*.Hα-helixtrans-58.9-40.3177.5-59.20000112.6E124 L132E124-S128 WeakPolarHBondContact O-CB 3.41Å; E124-S128 PolarHBondContact O-N 3.3Å; E124-S128 PolarHBondContact O-OG 2.67Å; S128-L132 PolarHBondContact O-N 2.92Å; S128-L132 VanDerWaalsContact O-N 3.1Å
129R98.2Very high97.5Very high155 Ų155100 Ų10059%0.58550%0.504SS*.Hα-helixtrans-67.1-42.6176.9-179.5175.261.8160.5-0.3112A125 K126 S127 L132 Q133A125-R129 WeakPolarHBondContact O-CB 3.49Å; A125-R129 PolarHBondContact O-N 2.94Å; A125-R129 VanDerWaalsContact O-N 3.17Å; K126-R129 PolarHBondContact O-N 3.46Å; S127-R129 VanDerWaalsContact C-N 3.3Å; S127-R129 PolarHBondContact O-N 2.93Å; R129-L132 PolarHBondContact O-N 3.49Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.14Å; R129-Q133 VanDerWaalsContact O-N 3.12Å
130I97.7Very high97.4Very high68 Ų68104.6 Ų104.635%0.34952%0.517SS..Hα-helixtrans-63.8-48.3178.1-69.8168.9000109.7K126 S127 L132 Q133 E134K126-I130 HydrophobicContact CG-CD1 4.07Å; K126-I130 WeakPolarHBondContact O-CG1 3.43Å; K126-I130 PolarHBondContact O-N 3.34Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 VanDerWaalsContact O-N 3.13Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; I130-Q133 WeakPolarHBondContact O-CA 3.36Å; I130-Q133 WeakPolarHBondContact O-CB 3.36Å; I130-Q133 PolarHBondContact O-N 3.46Å; I130-E134 HydrophobicContact CG2-CG 4.29Å; I130-E134 WeakPolarHBondContact CG2-OE1 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.49Å; I130-E134 PolarHBondContact O-N 2.94Å
131G97.9Very high97.3Very high27 Ų27107.2 Ų107.228%0.27853%0.525SS..Hα-helixtrans-57.1-42.6177.400000112.9S127 Q133 E134 D135S127-G131 PolarHBondContact O-N 3.03Å; G131-Q133 VanDerWaalsContact C-N 3.32Å; G131-Q133 PolarHBondContact O-N 3.33Å; G131-E134 PolarHBondContact O-N 2.98Å; G131-D135 PolarHBondContact O-N 2.9Å
132L97.6Very high97.2Very high108 Ų108109.3 Ų109.357%0.56553%0.531SS*.Hα-helixtrans-63.9-36.1175.5-178.861.6000112.8S128 R129 I130 L136S128-L132 PolarHBondContact O-N 2.92Å; S128-L132 VanDerWaalsContact O-N 3.1Å; R129-L132 PolarHBondContact O-N 3.49Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; L132-L136 HydrophobicContact CG-CD1 4.35Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.5Å; L132-L136 VanDerWaalsContact O-N 3.14Å
133Q97.8Very high97Very high104 Ų104104.9 Ų104.949%0.48652%0.517SS..Hα-helixtrans-68.7-43.8176.8-72.8177.2-46.600111.3R129 I130 G131 D135 L136 E137R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.14Å; R129-Q133 VanDerWaalsContact O-N 3.12Å; I130-Q133 WeakPolarHBondContact O-CA 3.36Å; I130-Q133 WeakPolarHBondContact O-CB 3.36Å; I130-Q133 PolarHBondContact O-N 3.46Å; G131-Q133 VanDerWaalsContact C-N 3.32Å; G131-Q133 PolarHBondContact O-N 3.33Å; Q133-D135 PolarHBondContact O-N 3.37Å; Q133-L136 PolarHBondContact O-N 2.97Å; Q133-E137 WeakPolarHBondContact O-CG 3.46Å; Q133-E137 PolarHBondContact O-N 3.44Å
134E97.9Very high96.8Very high120 Ų120103.4 Ų103.456%0.56151%0.51SS*.Hα-helixtrans-58.3-46.8175.7-70.4174.7176.700111.2I130 G131 L136 E137 E138I130-E134 HydrophobicContact CG2-CG 4.29Å; I130-E134 WeakPolarHBondContact CG2-OE1 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.49Å; I130-E134 PolarHBondContact O-N 2.94Å; G131-E134 PolarHBondContact O-N 2.98Å; E134-L136 PolarHBondContact O-N 3.49Å; E134-E137 PolarHBondContact O-N 3.42Å; E134-E138 WeakPolarHBondContact O-CB 3.28Å; E134-E138 PolarHBondContact O-N 3.37Å
135D96.8Very high96.7Very high112 Ų112103 Ų10360%0.59951%0.507SS*.Hα-helixtrans-60-42.7176.6-76.1-14.3000112.4G131 Q133 E138 F139G131-D135 PolarHBondContact O-N 2.9Å; Q133-D135 PolarHBondContact O-N 3.37Å; D135-E138 PolarHBondContact O-N 3.05Å; D135-F139 WeakPolarHBondContact O-CB 3.41Å; D135-F139 PolarHBondContact O-N 3.46Å
136L97.5Very high96.5Very high87 Ų87104.7 Ų104.746%0.45550%0.502SS..Hα-helixtrans-67.2-37.3178.5-73.7174.1000112L132 Q133 E134 R140L132-L136 HydrophobicContact CG-CD1 4.35Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.5Å; L132-L136 VanDerWaalsContact O-N 3.14Å; Q133-L136 PolarHBondContact O-N 2.97Å; E134-L136 PolarHBondContact O-N 3.49Å; L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.16Å; L136-R140 PolarHBondContact O-N 2.85Å
137E97Very high96.2Very high126 Ų126105.3 Ų105.359%0.58951%0.505SS*.Hα-helixtrans-68.5-43.4175.4-73.8-178.8-170.400111.8Q133 E134 F139 R140 K141Q133-E137 WeakPolarHBondContact O-CG 3.46Å; Q133-E137 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 3.42Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.01Å; E137-R140 PolarHBondContact O-N 3.26Å; E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 PolarHBondContact O-N 2.87Å
138E96.4Very high95.9Very high132 Ų132107.3 Ų107.362%0.61751%0.506SS*.Hα-helixtrans-58.8-46.8173.2-177.7112.7-125.100110.5E134 D135 R140 K141 E142E134-E138 WeakPolarHBondContact O-CB 3.28Å; E134-E138 PolarHBondContact O-N 3.37Å; D135-E138 PolarHBondContact O-N 3.05Å; E138-R140 PolarHBondContact O-N 2.99Å; E138-K141 PolarHBondContact O-N 3.13Å; E138-E142 WeakPolarHBondContact O-CB 3.43Å; E138-E142 PolarHBondContact O-N 2.88Å
139F95.9Very high95.6Very high117 Ų117110.4 Ų110.451%0.51351%0.509SS..Hα-helixtrans-57.8-47.2176.1-178.5-100.3000111.6D135 E137 K141 E142 Q143D135-F139 WeakPolarHBondContact O-CB 3.41Å; D135-F139 PolarHBondContact O-N 3.46Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.01Å; F139-K141 PolarHBondContact O-N 2.9Å; F139-E142 PolarHBondContact O-N 3.1Å; F139-Q143 HydrophobicContact CD1-CG 4.23Å; F139-Q143 HydrophobicContact CE1-CG 3.89Å; F139-Q143 HydrophobicContact CE2-CG 4.33Å; F139-Q143 VanDerWaalsContact CE2-NE2 3.34Å; F139-Q143 HydrophobicContact CZ-CG 3.95Å; F139-Q143 VanDerWaalsContact O-CG 3.27Å; F139-Q143 WeakPolarHBondContact O-CG 3.45Å; F139-Q143 PolarHBondContact O-N 2.98Å
140R95.9Very high95.2Very high163 Ų163108.4 Ų108.462%0.61551%0.509SS*.Hα-helixtrans-59-48.3177-74.2170.2-176.9179.12.6111.7L136 E137 E138 E142 Q143 E144L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.16Å; L136-R140 PolarHBondContact O-N 2.85Å; E137-R140 PolarHBondContact O-N 3.26Å; E138-R140 PolarHBondContact O-N 2.99Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.17Å; R140-Q143 PolarHBondContact O-N 2.86Å; R140-E144 PolarHBondContact O-N 3.15Å
141K96.2Very high94.7Very high124 Ų124114.3 Ų114.354%0.53953%0.527SS..Hα-helixtrans-61.9-39.5179.3-170.5179.9-172.9176.50111.8E137 E138 F139 E144 K145E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 PolarHBondContact O-N 2.87Å; E138-K141 PolarHBondContact O-N 3.13Å; F139-K141 PolarHBondContact O-N 2.9Å; K141-E144 PolarHBondContact O-N 3.05Å; K141-K145 WeakPolarHBondContact O-CG 3.49Å; K141-K145 PolarHBondContact O-N 3.34Å
142E94.2Very high94.2Very high86 Ų86116.8 Ų116.840%0.40254%0.54SS..Hα-helixtrans-66.9-42.9177.4-158.9-153.3177.400111.7E138 F139 R140 E144 K145 K146E138-E142 WeakPolarHBondContact O-CB 3.43Å; E138-E142 PolarHBondContact O-N 2.88Å; F139-E142 PolarHBondContact O-N 3.1Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.17Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.05Å; E142-K145 PolarHBondContact O-N 3.38Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 WeakPolarHBondContact OE1-CE 3.42Å; E142-K146 IonicContact OE1-NZ 3.84Å; E142-K146 PolarHBondContact OE1-NZ 3.02Å; E142-K146 IonicContact OE2-NZ 2.75Å; E142-K146 PolarHBondContact OE2-NZ 3.43Å
143Q94.1Very high93.5Very high64 Ų64121.9 Ų121.930%0.29955%0.552SS.*Hα-helixtrans-61.6-41176-67.4-58.5-28.900111.9F139 R140 K146 K147F139-Q143 HydrophobicContact CD1-CG 4.23Å; F139-Q143 HydrophobicContact CE1-CG 3.89Å; F139-Q143 HydrophobicContact CE2-CG 4.33Å; F139-Q143 VanDerWaalsContact CE2-NE2 3.34Å; F139-Q143 HydrophobicContact CZ-CG 3.95Å; F139-Q143 VanDerWaalsContact O-CG 3.27Å; F139-Q143 WeakPolarHBondContact O-CG 3.45Å; F139-Q143 PolarHBondContact O-N 2.98Å; R140-Q143 PolarHBondContact O-N 2.86Å; Q143-K146 PolarHBondContact O-N 2.85Å; Q143-K147 WeakPolarHBondContact O-CG 3.15Å; Q143-K147 PolarHBondContact O-N 3.35Å
144E94.5Very high92.3Very high115 Ų115126.5 Ų126.554%0.53757%0.565SS.*Hα-helixtrans-63.7-45175.1-73.1178.7-177.100112.2R140 K141 E142 K146 K147 Q148R140-E144 PolarHBondContact O-N 3.15Å; K141-E144 PolarHBondContact O-N 3.05Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.05Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.4Å; E144-K147 PolarHBondContact O-N 3.4Å; E144-Q148 WeakPolarHBondContact O-CG 3.32Å; E144-Q148 PolarHBondContact O-N 3.11Å
145K94.3Very high90.2Very high105 Ų105131.8 Ų131.846%0.45759%0.589SS.*Hα-helixtrans-59-42.5174.3-73.5172.6179.5176.30111.8K141 E142 Q148 K149K141-K145 WeakPolarHBondContact O-CG 3.49Å; K141-K145 PolarHBondContact O-N 3.34Å; E142-K145 PolarHBondContact O-N 3.38Å; K145-Q148 PolarHBondContact O-N 3.04Å; K145-K149 WeakPolarHBondContact O-CB 3.36Å; K145-K149 WeakPolarHBondContact O-CG 3.45Å; K145-K149 PolarHBondContact O-N 3.12Å
146K93Very high89.9Confident98 Ų98132.8 Ų132.843%0.42659%0.589SS.*Hα-helixtrans-60.4-44.5175.7-75.1172.1-178.7160.40111.3E142 Q143 E144 K149 L150E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 WeakPolarHBondContact OE1-CE 3.42Å; E142-K146 IonicContact OE1-NZ 3.84Å; E142-K146 PolarHBondContact OE1-NZ 3.02Å; E142-K146 IonicContact OE2-NZ 2.75Å; E142-K146 PolarHBondContact OE2-NZ 3.43Å; Q143-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.4Å; K146-K149 PolarHBondContact O-N 2.75Å; K146-L150 PolarHBondContact O-N 3.16Å
147K92.7Very high89.5Confident137 Ų137135.2 Ų135.260%0.59660%0.596SS**Hα-helixtrans-63.4-43.2175.9-70.5174.4-176178.70112.3Q143 E144 L150 R151Q143-K147 WeakPolarHBondContact O-CG 3.15Å; Q143-K147 PolarHBondContact O-N 3.35Å; E144-K147 PolarHBondContact O-N 3.4Å; K147-L150 PolarHBondContact O-N 2.72Å; K147-R151 WeakPolarHBondContact O-CG 3.39Å; K147-R151 PolarHBondContact O-N 3.35Å
148Q91.2Very high89.1Confident122 Ų122135.7 Ų135.757%0.5760%0.596SS**Hα-helixtrans-64.4-41.8177-69.9175.918.400112.2E144 K145 L150 R151 S152E144-Q148 WeakPolarHBondContact O-CG 3.32Å; E144-Q148 PolarHBondContact O-N 3.11Å; K145-Q148 PolarHBondContact O-N 3.04Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.15Å; Q148-R151 PolarHBondContact O-N 3.38Å; Q148-S152 PolarHBondContact O-N 2.96Å; Q148-S152 PolarHBondContact O-OG 2.95Å
149K91.6Very high88.6Confident148 Ų148135.9 Ų135.964%0.64360%0.595SS**Hα-helixtrans-61.7-40.1173.5-74.3-179.9-179.5-175.40112.1K145 K146 S152 R153K145-K149 WeakPolarHBondContact O-CB 3.36Å; K145-K149 WeakPolarHBondContact O-CG 3.45Å; K145-K149 PolarHBondContact O-N 3.12Å; K146-K149 PolarHBondContact O-N 2.75Å; K149-S152 WeakPolarHBondContact CA-OG 3.31Å; K149-S152 PolarHBondContact O-OG 3.09Å; K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.24Å
150L88.9Confident88.2Confident114 Ų114137.1 Ų137.160%0.59760%0.6SS**Hα-helixtrans-68.4-38.5176.5-173.464.1000112.2K146 K147 Q148 R153 R154K146-L150 PolarHBondContact O-N 3.16Å; K147-L150 PolarHBondContact O-N 2.72Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.15Å; L150-R153 PolarHBondContact O-N 3.06Å; L150-R154 WeakPolarHBondContact O-CG 3.33Å
151R87.7Confident87.7Confident192 Ų192135.4 Ų135.473%0.72560%0.599SS**Hα-helixtrans-66-43176.8-72.6176.672.6-170.82.6112.2K147 Q148 R153 R154K147-R151 WeakPolarHBondContact O-CG 3.39Å; K147-R151 PolarHBondContact O-N 3.35Å; Q148-R151 PolarHBondContact O-N 3.38Å; R151-R153 VanDerWaalsContact C-N 3.27Å; R151-R153 PolarHBondContact O-N 3.27Å; R151-R154 PolarHBondContact O-N 2.91Å; R151-R154 VanDerWaalsContact O-N 3.16Å
152S87.3Confident87.1Confident79 Ų79136.2 Ų136.255%0.55260%0.603SS**Hα-helixtrans-67.7-23.1177.748.20000113.8Q148 K149 R154Q148-S152 PolarHBondContact O-N 2.96Å; Q148-S152 PolarHBondContact O-OG 2.95Å; K149-S152 WeakPolarHBondContact CA-OG 3.31Å; K149-S152 PolarHBondContact O-OG 3.09Å; S152-R154 VanDerWaalsContact C-N 3.35Å
153R82.5Confident86.5Confident215 Ų215140.1 Ų140.181%0.81162%0.619SS**THydrogen-bonded Turntrans-82-9173-68.9-179.980.6161.97.4114.2K149 L150 R151K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.24Å; L150-R153 PolarHBondContact O-N 3.06Å; R151-R153 VanDerWaalsContact C-N 3.27Å; R151-R153 PolarHBondContact O-N 3.27Å
154R72.4Confident85.9Confident201 Ų201146.4 Ų146.476%0.75865%0.645SS**THydrogen-bonded Turntrans-98.92.7-179.2-74-179.569.6159.62.4113.2L150 R151 S152L150-R154 WeakPolarHBondContact O-CG 3.33Å; R151-R154 PolarHBondContact O-N 2.91Å; R151-R154 VanDerWaalsContact O-N 3.16Å; S152-R154 VanDerWaalsContact C-N 3.35Å
155H54.7Low85.1Confident231 Ų231149.3 Ų149.3100%1.06966%0.655SS**  trans-118.60170.1-76.24.8000108.2

Retrieved 155 of 155 residues in 34.1 ms (Link to these results)